Crystallography Open Database

Information card for entry 4340706

Preview

Coordinates	4340706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H64 Cl6 F12 Mo4 N12 O4
Calculated formula	C89 H62 Cl6 F12 Mo4 N12 O4
Title of publication	Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.
Authors of publication	Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9213 - 9221
a	10.5077 ± 0.0004 Å
b	12.638 ± 0.0006 Å
c	18.173 ± 0.0008 Å
α	83.994 ± 0.004°
β	79.78 ± 0.004°
γ	68.635 ± 0.004°
Cell volume	2209.7 ± 0.18 Å³
Cell temperature	255 ± 2 K
Ambient diffraction temperature	255 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179510 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/07.	4340706.cif
122946	2014-09-06	cif/ Updating files of 4340705, 4340706, 4340707, 4340708, 4340709 Original log message: Adding full bibliography for 4340705--4340709.cif.	4340706.cif
122013	2014-08-18	cif/ Adding structures of 4340705, 4340706, 4340707, 4340708, 4340709 via cif-deposit CGI script.	4340706.cif